Compound Detail
CHEMBL52213
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Basic Information
| ChEMBL ID | CHEMBL52213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMBWQQLMWITGKC-GRTNUQQKSA-N |
| Parent Compound | CHEMBL1178977 |
| Active Moiety | CHEMBL1178977 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
3.75
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine receptor CHEMBL2093868 | IC50 | 5.19 | 5.19 | 6470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dopamine receptor | IC50 | = | 6470.0 | nM | 5.19 | Potency of inhibiting 10 pM [125I]-RTI-55 binding to dopamine receptor in rat st... | 15026075 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15026075 | 10.1016/j.bmcl.2003.12.097 | Dopamine receptor | 1 |
| 15026075 | 10.1016/j.bmcl.2003.12.097 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine